1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride

1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride

CAS: 367251-31-8

Formula: C18H16ClF3N2

SMILES: Cl.FC(F)(F)C1=CC=C(C=C1)C1NCCC2=C1NC1=CC=CC=C21

IUPAC: 1-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride

InChI: InChI=1/C18H15F3N2.ClH/c19-18(20,21)12-7-5-11(6-8-12)16-17-14(9-10-22-16)13-3-1-2-4-15(13)23-17;/h1-8,16,22-23H,9-10H2;1H

Composition: C (61.28%), H (4.57%), Cl (10.05%), F (16.16%), N (7.94%)

Molar Mass: 352.79

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	352.0954107
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	CRBZMEZIMXHFIG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.84
Topological Polar Surface Area	27.82
Polarizability	32.26
Ring Count	4
Rotatable Bond Count	2

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